N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide

C17H27N3O — CID 16780915

IUPACN-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(CN)cc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyXVESNTCVYWKBBX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide

N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide (PubChem CID 16780915) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
PubChem CID16780915
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(CN)cc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21)
InChIKeyXVESNTCVYWKBBX-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide (CID 16780915) is N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccc(CN)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide?
The InChIKey is XVESNTCVYWKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(16-5-3-2-4-6-16)12-11-17(21)19-15-9-7-14(13-18)8-10-15/h7-10,16H,2-6,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide?
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide is sourced from PubChem (CID 16780915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).